SCHEMBL689608

SCHEMBL689608

COc1c(N)cc(C(F)(F)F)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CFTR P13569 1/20 0.44
PTPN5 P54829 2/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 2/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX5AP P20292 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10675662 0.88 L3MBTL1 (0.42) L3MBTL1RAB9AMAPTNPSR1CFTR
SCHEMBL8154080 0.86 CYP1A2 (0.43) L3MBTL1RAB9AMAPTNPSR1CFTR
SCHEMBL688905 0.83 L3MBTL1 (0.41) L3MBTL1RAB9AMAPTNPSR1CFTR
SCHEMBL18610098 0.82 MAPT (0.40) L3MBTL1RAB9AMAPTNPSR1CFTR
SCHEMBL5110263 0.79 SLC6A4 (0.46) L3MBTL1RAB9AMAPTNPSR1CFTR
SCHEMBL690103 0.79 POLB (0.44) L3MBTL1RAB9AMAPTNPSR1ALDH1A1
SCHEMBL11444404 0.78 PTPN5 (0.40) L3MBTL1RAB9AMAPTNPSR1CFTR
SCHEMBL15086946 0.78 CFTR (0.40) L3MBTL1RAB9AMAPTNPSR1CFTR
SCHEMBL22927078 0.78 L3MBTL1 (0.36) L3MBTL1RAB9AMAPTNPSR1CFTR
Hydrochloric Acid SCHEMBL11874645 0.77 POLB (0.48) L3MBTL1RAB9AMAPTNPSR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558582-B1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-12-21 EP claimed
JP-54088230-A None JP disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-11806661-B2 Polymer and method for producing the same, gas separation membrane, gas separation module, and gas separation apparatus using the polymer, and m-phenylenediamine compound FUJIFILM CORPORATION (JP) 2023-11-07 US disclosed
US-11806661-B2 Polymer and method for producing the same, gas separation membrane, gas separation module, and gas separation apparatus using the polymer, and m-phenylenediamine compound FUJIFILM CORPORATION (JP) 2023-11-07 US disclosed
US-20210394113-A1 POLYMER AND METHOD FOR PRODUCING THE SAME, GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, AND GAS SEPARATION APPARATUS USING THE POLYMER, AND m-PHENYLENEDIAMINE COMPOUND FUJIFILM CORPORATION (JP) 2021-12-23 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
EP-1549621-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-07-06 EP disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004014870-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 WO disclosed
US-4195037-A 4-Alkoxy-3,5-diamino-α,α,α-trifluoromethyl-benzene and manufacture thereof and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1980-03-25 US disclosed
JP-S5488230-A 4-ALKOXY-3,5-DIAMINO-ALPHA,ALPHA,ALPHA-TRIFLUOROMETHYLBENZENE,ITS PREPARATION, AND HARDENERS FOR POLYURETHANE ELASTOMERS CONSISTING OF IT IHARA CHEM IND CO LTD 1979-07-13 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF L3MBTL1 4741/4885RAB9A 1561/4885MAPT 3731/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A L3MBTL1 4755/4885RAB9A 581/4885MAPT 2301/4885
US-20140187539-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 L3MBTL1 3497/4885RAB9A 2555/4885MAPT 1806/4885
US-20210394113-A1 POLYMER AND METHOD FOR PRODUCING THE SAME, GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, AND GAS SEPARATION APPARATUS USING THE POLYMER, AND m-PHENYLENEDIAMINE COMPOUND PRMT9, PRMT1, PNMT L3MBTL1 4574/4885RAB9A 709/4885MAPT 3637/4885
US-11806661-B2 Polymer and method for producing the same, gas separation membrane, gas separation module, and gas separation apparatus using the polymer, and m-phenylenediamine compound PRMT9, PRMT1, PNMT L3MBTL1 4574/4885RAB9A 709/4885MAPT 3637/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.